Vitas-M small molecule compound
(4E)-4-{[(5-chloro-2-methoxyphenyl)amino]methylidene}-5-methyl-2-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK935753
SMILES COc1ccc(cc1N/C=C/1\C(=NN(C1=O)c1ccc2n(n1)cnn2)C)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C17H14ClN7O2 MW 383.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14ClN7O2/c1-10-12(8-19-13-7-11(18)3-4-14(13)27-2)17(26)25(22-10)16-6-5-15-21-20-9-24(15)23-16/h3-9,19H,1-2H3/b12-8+InChIKey
DGRFMWZRRVVIKA-XYOKQWHBSA-NSynonyms
(4E)4(((5chloro2methoxyphenyl)amino)methylidene)5methyl2((124)triazolo(43b)pyridazin6yl)24dihydro3Hpyrazol3one
(4E)4((5chloro2methoxyanilino)methylidene)5methyl2((124)triazolo(43b)pyridazin6yl)pyrazol3one
(E)1((124)triazolo(43b)pyridazin6yl)4(((5chloro2methoxyphenyl)amino)methylene)3methyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)Cl)OC)C3=NN4C=NN=C4C=C3
COc1ccc(cc1NC=C1C(=NN(C1=O)c1ccc2n(n1)cnn2)C)Cl
InChI=1SC17H14ClN7O2c11012(81913711(18)3414(13)272)17(26)25(2210)1665152120924(15)2316h3919H12H3b128+
MFCD13757157
ZINC000101641477
ZINC101641477
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